CID 5270884

(2s,3r,4r,5s,6r)-5-amino-2-[(1r,2r,3s,5r,6s)-3,5-diamino-2-[(2r,3r,4r,5s,6r)-3-amino-6-(aminomethyl)-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-6-hydroxy-cyclohexoxy]-6-methyl-tetrahydropyran-3,4-diol

Structural Information

Molecular Formula
C18H37N5O9
SMILES
C[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](C[C@@H]([C@H]2O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N)N)O)O)O)N
InChI
InChI=1S/C18H37N5O9/c1-4-8(22)12(26)14(28)18(29-4)32-16-10(24)5(20)2-6(21)15(16)31-17-9(23)13(27)11(25)7(3-19)30-17/h4-18,24-28H,2-3,19-23H2,1H3/t4-,5-,6+,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18+/m1/s1
InChIKey
QUBVQQLFSSEANC-DZNIVJHZSA-N
Compound name
(2S,3R,4R,5S,6R)-5-amino-2-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-6-methyloxane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

467.25912 Da
Monoisotopic Mass

-6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.26640 212.4
[M+Na]+ 490.24834 212.8
[M-H]- 466.25184 203.9
[M+NH4]+ 485.29294 212.4
[M+K]+ 506.22228 218.2
[M+H-H2O]+ 450.25638 202.7
[M+HCOO]- 512.25732 214.6
[M+CH3COO]- 526.27297 219.1
[M+Na-2H]- 488.23379 245.4
[M]+ 467.25857 220.8
[M]- 467.25967 220.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.